N-[(1Z)-buta-1,3-dienyl]propan-1-imine

C7H11N — CID 89231068

IUPACN-[(1Z)-buta-1,3-dienyl]propan-1-imine
SMILESCCC=N/C=C\C=C
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3,5-7H,1,4H2,2H3/b7-5-,8-6?
InChIKeyUVFGEPATRIUGNS-WDFIMKRQSA-N
MW109.17 g/mol
LogP1.60
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]propan-1-imine

N-[(1Z)-buta-1,3-dienyl]propan-1-imine (PubChem CID 89231068) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]propan-1-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]propan-1-imine
PubChem CID89231068
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(1Z)-buta-1,3-dienyl]propan-1-imine
SMILESCCC=N/C=C\C=C
InChIInChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3,5-7H,1,4H2,2H3/b7-5-,8-6?
InChIKeyUVFGEPATRIUGNS-WDFIMKRQSA-N
XLogP1.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity101

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]propan-1-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]propan-1-imine (CID 89231068) is N-[(1Z)-buta-1,3-dienyl]propan-1-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]propan-1-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]propan-1-imine is CCC=N/C=C\C=C.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]propan-1-imine?
The InChIKey is UVFGEPATRIUGNS-WDFIMKRQSA-N. The full InChI is InChI=1S/C7H11N/c1-3-5-7-8-6-4-2/h3,5-7H,1,4H2,2H3/b7-5-,8-6?.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]propan-1-imine?
N-[(1Z)-buta-1,3-dienyl]propan-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]propan-1-imine is sourced from PubChem (CID 89231068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).